In-Silico Structure Database (LMISSD)

Common Name
TG(32:0/18:2(6Z,9Z)/35:0)
Systematic Name
1-dotriacontanoyl-2-(6Z,9Z-octadecadienoyl)-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301KEL6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1321.284090
Formula
C88H168O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
GYFWYKICGRWGOI-ILNZRLAOSA-N
InChi (Click to copy)
InChI=1S/C88H168O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-43-44-46-48-50-52-54-56-58-61-63-66-69-72-75-78-81-87(90)93-84-85(94-88(91)82-79-76-73-70-67-64-59-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-60-57-55-53-51-49-47-45-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,59,67,70,85H,4-26,28-58,60-66,68-69,71-84H2,1-3H3/b59-27-,70-67-/t85-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases